N-(azepan-4-yl)-2-(triazol-1-yl)acetamide

C10H17N5O — CID 105059311

IUPACN-(azepan-4-yl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NC1CCCNCC1
InChIInChI=1S/C10H17N5O/c16-10(8-15-7-6-12-14-15)13-9-2-1-4-11-5-3-9/h6-7,9,11H,1-5,8H2,(H,13,16)
InChIKeyHOUZIZUEQUIAJK-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.46
Rot. Bonds3

About N-(azepan-4-yl)-2-(triazol-1-yl)acetamide

N-(azepan-4-yl)-2-(triazol-1-yl)acetamide (PubChem CID 105059311) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(azepan-4-yl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2-(triazol-1-yl)acetamide
PubChem CID105059311
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-(azepan-4-yl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NC1CCCNCC1
InChIInChI=1S/C10H17N5O/c16-10(8-15-7-6-12-14-15)13-9-2-1-4-11-5-3-9/h6-7,9,11H,1-5,8H2,(H,13,16)
InChIKeyHOUZIZUEQUIAJK-UHFFFAOYSA-N
XLogP-0.46
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide
CID 106995465
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
CID 127417394
N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
CID 118779238
N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide
CID 103805775
N-(2-aminocyclopentyl)-2-(triazol-1-yl)acetamide
CID 115348385
N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 81478292
N-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide
CID 113276448
N-methyl-N-(piperidin-3-ylmethyl)-2-(triazol-1-yl)acetamide
CID 106627955
N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
N-(azepan-4-yl)-4-methylpentanamide
CID 105059595
3-(azepan-4-ylamino)-N-cyclopropylpropanamide
CID 103982443

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(azepan-4-yl)-2-(triazol-1-yl)acetamide (CID 105059311) is N-(azepan-4-yl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(azepan-4-yl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(azepan-4-yl)-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)NC1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-2-(triazol-1-yl)acetamide?
The InChIKey is HOUZIZUEQUIAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c16-10(8-15-7-6-12-14-15)13-9-2-1-4-11-5-3-9/h6-7,9,11H,1-5,8H2,(H,13,16).
What are the key properties of N-(azepan-4-yl)-2-(triazol-1-yl)acetamide?
N-(azepan-4-yl)-2-(triazol-1-yl)acetamide has a molecular weight of 223.28 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 105059311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).